Bonding of the chain structure for novel boranes B3k+pH−5k+p+3

The molecular orbitals obtained from conventional quantum chemistry calculations, are expressed in terms of symmetrized valence bond functions of fragment, and a direct picture of chemical bonding can be drawn easily. This method is utilized, together with extended Huckel calculations, to interpret the bonding properties of a centipede-like chain structure for novel laser-producing boranes B_3k+pH^?_5k+p+3 which is constructed from the repeated unit B₃H₅ halted to each other by three B—H—B bonds.     

白卡奴鸽动脉粥样硬化模型微量元素谱的计算机多元分析

用ＩＣＰ－ＡＥＳ测定了白卡奴鸽动脉粥样硬化模型和对照组的器官和组织中１９种元素含量，通过因子分析，取得一系列因子得分图，结果表明，动脉粥样硬化和对照组样品点分布在不同区域，且可分辨。     

Studies on Chemical Constituents of Polygonum Ciliinerve Ohwi

Three new apianen lactones Maomailiaoine I ( 1 ), Maomailiaoine II ( 2 ) and Maoimaliaoine III ( 3 ), together with one known apianen lactone, five known flavonoids and three other known compounds were isolated from Polgonum ciliinerve Ohwi. Their structures were deduced from spectroscopic methods and 2D NMR techniques.     

Theoretical Study on the Structures and Stability of Isomers and Complex of[Si,C,O,O] Sytem

A detailed singlet potential energy surface(PES) of [Si,C,O,O] system including a van der Waals (vdW) comples SiO……CO2,eight isomers,and twelve transiton states is investigated by MP2 and QCISD(T) (single-point)methods.At the final QCISD(T)/6-311 G(2df)//MP2/6-311G(d) level with zero-point energy included,the complex SiO……CO is found to be thermodynamically and kinetically the most stable species.Although eight ismoers are located as local energy minima,they are rather unstable toward isomerization to the dissociation fragments or comples.For the reaction of silocon atoms with carbon dioxide,two competitive reaction channels are found,and the primary pathway,which leads to the products of SiO and CO fragments,is the direct oxygen-abstraction process from carbon dioxide by silicon atom with a41.16 kJ/mol reaction barrier height.Our predications are in good agreement with previous experimental and theoretical studies.     

Synthesis of Tetra—Schiff Base Macrocyclic Compound Containing Benzo—12—crown—4

Tetra-Schiff base macrocyclic compound containing benzo-12-crown-4 was synthesized via condensation of 2,6-diformyl-4-methyl-phenol with 4′，5′-diaminobenzo-12-C-4 promoted by proton. The compound was characterized by MS,IR ^1HNMR spectroscopy and elemental analysis.     

PREPARATION OF CUO/γ-Al2O3 CATALYSTS FOR CATALYTIC COMBUSTION VOCS VIA PLASMA

CuO/γ-Al2O3 catalysts were prepared by plasma treatment and conventional impregnation methods. The catalytic combustion of two kinds of volatile organic compounds (VOCs), toluene and benzene, were carried out over these CuO/γ-Al2O3 catalysts. The surface properties of these catalysts were characterized by X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The experimental results showed that in catalytic combustion the activity of the CuO/γ-Al2O3 catalyst prepared via plasma was much higher than that of the CuO/γ-Al2O3 catalyst prepared by conventional impregnation method. XRD results showed that an enhanced dispersion had been achieved with the plasma treatment. SEM results indicated that the size became much smaller and the surface became more uniform with the plasma treatment.     

特征线法在求解非线性液相吸附色谱模型中的应用

本文应用特征线法求解非线性液相吸附色谱分离过程模型，论述了特征线法的原理和步骤，讨论了时间步长和空间步长对模型数值解的影响，并用色谱分离甘露醇和山梨醇以及分离蔗糖和还原糖的实验进行验证，用特征线法计算的理论流出曲线与实验流出线吻合较好。本文还分折了模型中各个参数的灵敏度，结果表明：吸附等温方程Q＝Ci*／（ai＋biCi*）中参数ai比参数bi以及总传质系数ki有更高的灵敏度。     

Properties of nanobelts and nanotubes measured by in situ TEM.

Characterizing the physical properties of individual nanostructures is challenging because of the difficulty in manipulating the objects of sizes from nanometers to micrometers. Most nanomeasurements have been carried using scanning probe microscopy. In this article, we demonstrate that transmission electron microscopy can be a powerful tool for quantitative measurements of the mechanical and electrical properties of a single nanostructure. Dual-mode resonance of an oxide nanobelt has been observed, and its bending modulus has been measured. An in situ technique was demonstrated for measuring the work function at the tip of a carbon nanotube. The ballistic quantum conductance of a multiwalled carbon nanotube was observed at room temperature using the setup in TEM. It is concluded that in situ measurement by directly linking structure with property is a future direction of electron microscopy.     

Physicochemical properties and catalytic performance of Pr2 − x SrxCoO4 ± y mixed oxides for NO reduction by CO

Using the polyglycol gel method, a series of Pr_{2 − x} Sr_xCoO_{4 ± y} (0.2 ≤ x ≤ 1.0) mixed oxides were prepared, and their catalytic activities were studied in the test reaction of NO reduction by CO. The solid-state physicochemical properties, including crystal structure, defect structure, IR spectrum, valence state of B-site ions, nonstoichiometry oxygen (y), oxygen species, and redox properties, were characterized by means of XRD, IR, TPD, TPR, XPS, and chemical analysis. The results show that all mixed oxides display a K₂NiF₄ structure. When x = 0.2 and 1.0, the obtained samples still have little uncertain mixed oxides; however, the mixed oxides (x = 0.4, 0.6, 0.8) all represent a single A₂BO₄ phase. With the increase of x, lattice parameters, unit-cell volume, and average crystalline size decrease gradually, whereas microstrain density, the concentration of Co³⁺, the amounts of lattice oxygen released and the concentration of oxygen vacancy increase. The catalytic activities of Pr_{2 − x} Sr_xCoO_{4 ± y} catalysts for NO reduction by CO are closely correlated with oxygen vacancy and the concentration of Co³⁺. Published in Russian in Kinetika i Kataliz, 2006, Vol. 47, No. 3, pp. 431–437. The text was submitted by the authors in English.     

Synthesis of poly(styrene-co-3-trimethoxysilyl propyl methacrylate) microspheres coated with polysiloxane layer

A procedure has been developed to coat micron-sized poly(styrene-co-3-trimethoxysilyl propyl methacrylate) microspheres with a smooth layer of polysiloxane by the hydrolysis and condensation of methyl trimethoxylsilane (MTMS). Firstly, polystyrene microspheres containing silanol groups were prepared by conventional dispersion polymerization using 3-(trimethoxysilyl) propyl methacrylate (MPS) as a functional comonomer in an ethanol/water medium. Secondly, the synthesis of the polysiloxane shell was carried out using a sol–gel process of MTMS. The thickness of the shells can be easily varied with different copolymer seeds and MTMS feed ratio. When we used copolymer particles with 2.00 μm diameter as seeds, the thickness of the polysiloxane shells can be varied from 0.10 to 0.18 μm. The core/shell structure of the composite microspheres was characterized by transmission electron microscope (TEM).